SCHEMBL6468945

SCHEMBL6468945

CC(C)CNCc1cnc(C(N)=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
GSK3B P49841 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5132527 0.85 SIRT6 (0.41) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6470753 0.81 SIRT6 (0.40) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6468950 0.78 MEN1 (0.44) OPRM1OPRK1ALDH1A1KMT2AMEN1
SCHEMBL30483004 0.78 SIRT6 (0.49) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL30874231 0.78 SIRT6 (0.49) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6468982 0.77 SIRT6 (0.41) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6468944 0.76 SIRT6 (0.44) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL14279028 0.75 OPRM1 (0.39) TSHROPRM1OPRK1ALDH1A1KMT2A
SCHEMBL5134062 0.74 OPRM1 (0.52) SIRT6OPRM1OPRK1HDAC1
SCHEMBL6469048 0.73 KDM4E (0.46) KDM4CHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIRT6 750/4885ADORA3 92/4885TSHR 1417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.